Geometry & MOs

Info

ID:	122663
PubChem CID:	50816389
Reduced:	FSO3N4H21C22 (1)
Stoich.:	ABC3D4E21F22 (1)
Weight, g/mol:	348.105625
ΔH_f, kcal/mol:	-71.12
Dipole, Da:	2.22
IP(EA), eV:	-8.54(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-acetylpiperidin-4-yl)-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)C3CCN(CC3)C(=O)C4=CC=CC=C4F

DOS

IR

Vibrations